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Compound Detail

CHEMBL330656

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CC(C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL330656
Phase Preclinical
Structure Type BOTH
InChI Key JCFLCUZWORCGHM-LNUAFWJXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

807.9
MW (Da)
-3.93
ALogP
12
HBA
12
HBD
367.6
PSA (Ų)
0.05
QED
3
Ro5 Violations
23
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H53N9O13
MW 807.86
Aromatic Rings 1
Heavy Atoms 57
NP-Likeness 0.10

Literature References

PubMed DOI Target Context # Activities
2153825 10.1021/jm00164a040 Unchecked 1
8411018 10.1021/jm00072a021 Unchecked 1

Data from ChEMBL 36 via Core Engine